ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(4-methyl-3-nitrobenzamido)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(4-methyl-3-nitrobenzamido)thiophene-3-carboxylate
ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(4-methyl-3-nitrobenzamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2827-4569 |
| Compound Name: | ethyl 5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methyl-2-(4-methyl-3-nitrobenzamido)thiophene-3-carboxylate |
| Molecular Weight: | 539.56 |
| Molecular Formula: | C26 H25 N3 O8 S |
| Smiles: | CCOC(c1ccc(cc1)NC(c1c(C)c(C(=O)OCC)c(NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1992 |
| logD: | -0.4402 |
| logSw: | -5.2067 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.803 |
| InChI Key: | IIJKTHIJWINLQD-UHFFFAOYSA-N |